BDBM50441099 CHEMBL2430574

SMILES: OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1

InChI Key: InChIKey=ZMSNARUZUICOMA-UHFFFAOYSA-N

Data: 6 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50441099   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Porphobilinogen synthase (Escherichia coli)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Stimulation of Escherichia coli recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Vibrio cholerae serotype O1 (strain M66-2))	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Stimulation of Vibrio cholerae recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Yersinia enterocolitica W22703)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Stimulation of Yersinia enterocolitica recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Stimulation of Pseudomonas aeruginosa PAO1 recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Porphobilinogen synthase (Homo sapiens (Human))	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human ALADH after 20 mins				Bioorg Med Chem Lett 23: 5558-62 (2013) Article DOI: 10.1016/j.bmcl.2013.08.052 BindingDB Entry DOI: 10.7270/Q2FQ9Z2S
					More data for this Ligand-Target Pair
Porphobilinogen synthase (Homo sapiens (Human))	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase, chloroplastic (Pisum sativum)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Pisum sativum PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Wolbachia sp. subsp. Brugia malayi (strain TRS))	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Wolbachia PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Drosophila melanogaster)	BDBM50441099 (CHEMBL2430574) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair